(Z)-N'-hydroxypropimidamide

• ChemBase ID: 55204
• Molecular Formular: C3H8N2O
• Molecular Mass: 88.10842
• Monoisotopic Mass: 88.06366289
• SMILES: C(=N\O)(\N)/CC
• Canonical SMILES: CC/C(=N/O)/N
• InChI: InChI=1S/C3H8N2O/c1-2-3(4)5-6/h6H,2H2,1H3,(H2,4,5)
• InChIKey: RLZPCFQNZGINRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxypropimidamide
• IUPAC Traditional name: (Z)-N'-hydroxypropimidamide
• Synonyms: (1Z)-N'-hydroxypropanimidamide; (1Z)-N'-Hydroxypropanimidamide hydrochloride; N-Hydroxypropionamidine; Propionamidoxime; N-羟基丙酸脒

Database IDs

• CAS Number: 29335-36-2
• MDL Number: MFCD13250108; MFCD07776159; MFCD03426272
• PubChem SID: 162059967
• PubChem CID: 6521662

CALCULATED PROPERTIES

• Acid pKa: 12.441137
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8988155
• LogD (pH = 7.4): -0.28114378
• Log P: -0.26310602
• Molar Refractivity: 23.0366 cm^3
• Polarizability: 8.840834 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Hygroscopic; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 97%